Found 386 hits with Last Name = 'boursier' and Initial = 'e' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 1/2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD3 bromodomain 1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain and PHD finger-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRPF3 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 7
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB MMDB
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| n/a | n/a | <1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD7 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD3 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD2 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRD4 bromodomain 2 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Peregrin
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB
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| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human BRPF1 by BROMOscan assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2685
(3-(1H-indol-3-yl)-4-{1-[2-(piperidin-2-yl)ethyl]-1...)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12 |c:5| Show InChI InChI=1S/C27H26N4O2/c32-26-24(20-15-29-22-10-3-1-8-18(20)22)25(27(33)30-26)21-16-31(23-11-4-2-9-19(21)23)14-12-17-7-5-6-13-28-17/h1-4,8-11,15-17,28-29H,5-7,12-14H2,(H,30,32,33) | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB
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| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118668
(CHEMBL3617086)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2694
(3-(1H-indol-3-yl)-4-{1-[2-(1-methylpyrrolidin-2-yl...)Show SMILES CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12| Show InChI InChI=1S/C27H26N4O2/c1-30-13-6-7-17(30)12-14-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-15-28-22-10-4-2-8-18(20)22/h2-5,8-11,15-17,28H,6-7,12-14H2,1H3,(H,29,32,33) | PDB
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Similars
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118669
(CHEMBL3617083)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118637
(CHEMBL3617084)Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| n/a | n/a | 15.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118672
(CHEMBL3617082)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118665
(CHEMBL3617085)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118524
(CHEMBL3617080)Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118523
(CHEMBL3617079)Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15BrFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118588
(CHEMBL3617095)Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H16BrN5O/c1-2-3-13-8-15(24)23-17(21-13)14(9-19)16(22-23)20-10-11-4-6-12(18)7-5-11/h4-8,21H,2-3,10H2,1H3,(H,20,22) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2691
(3-[1-(3-aminopropyl)-1H-indol-3-yl]-4-(1H-indol-3-...)Show SMILES NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7| Show InChI InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29) | PDB
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Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| n/a | n/a | 28.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365264
(CHEMBL1738926)Show SMILES Cc1nnc2[C@H](NC(=O)OCc3ccccc3)N=C(c3ccccc3)c3ccccc3-n12 |r,t:18| Show InChI InChI=1S/C25H21N5O2/c1-17-28-29-24-23(27-25(31)32-16-18-10-4-2-5-11-18)26-22(19-12-6-3-7-13-19)20-14-8-9-15-21(20)30(17)24/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1 | PDB
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| n/a | n/a | 29.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118665
(CHEMBL3617085)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118610
(CHEMBL3617102)Show SMILES Clc1ccc(CNc2nn3c([nH]c(Cc4ccoc4)cc3=O)c2C#N)cc1 Show InChI InChI=1S/C19H14ClN5O2/c20-14-3-1-12(2-4-14)10-22-18-16(9-21)19-23-15(7-13-5-6-27-11-13)8-17(26)25(19)24-18/h1-6,8,11,23H,7,10H2,(H,22,24) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 2
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| n/a | n/a | 32.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd2 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| n/a | n/a | 36.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd4 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118607
(CHEMBL3617098)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H18ClN5O/c1-2-3-4-14-9-16(25)24-18(22-14)15(10-20)17(23-24)21-11-12-5-7-13(19)8-6-12/h5-9,22H,2-4,11H2,1H3,(H,21,23) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2681
(3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Laboratoires Glaxo
| Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 3
(Homo sapiens (Human)) | BDBM50365463
(CHEMBL1232461)Show SMILES CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7| Show InChI InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | PDB
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| n/a | n/a | 42.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Displacement of tetra-acetylated H4 peptide from human Brd3 bromodomain BD12 after 1 hr by FRET analysis |
J Med Chem 54: 3827-38 (2011)
Article DOI: 10.1021/jm200108t BindingDB Entry DOI: 10.7270/Q2GB2541 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2692
(3-(1H-indol-3-yl)-4-{1-[(1-methylpiperidin-3-yl)me...)Show SMILES CN1CCCC(Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)C1 |t:10| Show InChI InChI=1S/C27H26N4O2/c1-30-12-6-7-17(14-30)15-31-16-21(19-9-3-5-11-23(19)31)25-24(26(32)29-27(25)33)20-13-28-22-10-4-2-8-18(20)22/h2-5,8-11,13,16-17,28H,6-7,12,14-15H2,1H3,(H,29,32,33) | PDB
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Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118521
(CHEMBL3617077)Show SMILES CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H15ClFN5O/c1-2-3-12-7-15(25)24-17(22-12)13(8-20)16(23-24)21-9-10-4-5-11(18)6-14(10)19/h4-7,22H,2-3,9H2,1H3,(H,21,23) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173927
(CHEMBL3808902)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118637
(CHEMBL3617084)Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/m1/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118522
(CHEMBL3617078)Show SMILES CCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C17H14ClF2N5O/c1-2-3-10-6-15(26)25-17(23-10)11(7-21)16(24-25)22-8-12-13(19)4-9(18)5-14(12)20/h4-6,23H,2-3,8H2,1H3,(H,22,24) | PDB
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Bromodomain testis-specific protein
(Homo sapiens (Human)) | BDBM50028142
(CHEMBL2177300)Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1 | PDB MMDB
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GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BRDT (unknown origin) by TR-FRET assay |
J Med Chem 57: 8111-31 (2014)
Article DOI: 10.1021/jm5010539 BindingDB Entry DOI: 10.7270/Q23R0VGR |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118669
(CHEMBL3617083)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173927
(CHEMBL3808902)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C25H24BrN5O2S/c1-27-24(32)15-8-9-20-19(13-15)30-23(18-7-2-3-12-28-18)31(20)17-6-4-5-16(14-17)29-25(33)21-10-11-22(26)34-21/h2-3,7-13,16-17H,4-6,14H2,1H3,(H,27,32)(H,29,33)/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2686
(3-(1H-indol-3-yl)-4-{1-[3-(piperazin-1-yl)propyl]-...)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5| Show InChI InChI=1S/C27H27N5O2/c33-26-24(20-16-29-22-8-3-1-6-18(20)22)25(27(34)30-26)21-17-32(23-9-4-2-7-19(21)23)13-5-12-31-14-10-28-11-15-31/h1-4,6-9,16-17,28-29H,5,10-15H2,(H,30,33,34) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173928
(CHEMBL3809839)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173926
(CHEMBL3808971)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, cytosolic
(Homo sapiens (Human)) | BDBM50118665
(CHEMBL3617085)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATc (unknown origin) |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118668
(CHEMBL3617086)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118524
(CHEMBL3617080)Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of BCATm in differentiated primary human adipocytes assessed as remaining leucine level by reversed phase HPLC analysis |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313 BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173928
(CHEMBL3809839)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25BrN4O2S/c1-28-25(32)17-10-11-21-20(14-17)30-24(16-6-3-2-4-7-16)31(21)19-9-5-8-18(15-19)29-26(33)22-12-13-23(27)34-22/h2-4,6-7,10-14,18-19H,5,8-9,15H2,1H3,(H,28,32)(H,29,33)/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173926
(CHEMBL3808971)Show SMILES NC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1ccccn1 |r| Show InChI InChI=1S/C24H22BrN5O2S/c25-21-10-9-20(33-21)24(32)28-15-4-3-5-16(13-15)30-19-8-7-14(22(26)31)12-18(19)29-23(30)17-6-1-2-11-27-17/h1-2,6-12,15-16H,3-5,13H2,(H2,26,31)(H,28,32)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit alpha
(Bos taurus (bovine)) | BDBM2693
(3-(1H-indol-3-yl)-4-{1-[3-(morpholin-4-yl)propyl]-...)Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCOCC2)c2ccccc12 |c:5| Show InChI InChI=1S/C27H26N4O3/c32-26-24(20-16-28-22-8-3-1-6-18(20)22)25(27(33)29-26)21-17-31(23-9-4-2-7-19(21)23)11-5-10-30-12-14-34-15-13-30/h1-4,6-9,16-17,28H,5,10-15H2,(H,29,32,33) | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoires Glaxo
| Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi... |
J Biol Chem 266: 15771-81 (1991)
BindingDB Entry DOI: 10.7270/Q2FF3QJ4 |
More data for this Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50173923
(CHEMBL3810317)Show SMILES CNC(=O)c1ccc2n([C@@H]3CCC[C@@H](C3)NC(=O)c3ccc(Br)s3)c(nc2c1)-c1cccs1 |r| Show InChI InChI=1S/C24H23BrN4O2S2/c1-26-23(30)14-7-8-18-17(12-14)28-22(19-6-3-11-32-19)29(18)16-5-2-4-15(13-16)27-24(31)20-9-10-21(25)33-20/h3,6-12,15-16H,2,4-5,13H2,1H3,(H,26,30)(H,27,31)/t15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human BCATm (28 to 392 residues) using L-Leucine and alpha-ketogluterate as substrate assessed as L-glutamate production after 10 mins ... |
ACS Med Chem Lett 7: 379-84 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00389 BindingDB Entry DOI: 10.7270/Q2W097V6 |
More data for this Ligand-Target Pair | |